BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2771
NameNicocodine
Pubchem ID5463872
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight404.46
Exact mass404.173607
Molecular formulaC24H24N2O4
XlogP2.3
Topological Polar Surface Area60.9
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)OC(=O)C6=CN=CC=C6
Isomeric SMILECN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)OC(=O)C6=CN=CC=C6
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